1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene

C10H16N2O2S — CID 670059

IUPAC1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene
SMILESCc1ccc(CNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H16N2O2S/c1-9-4-6-10(7-5-9)8-11-15(13,14)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyONLOGVYOIGFUPF-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.89
Rot. Bonds4

About 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene

1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene (PubChem CID 670059) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene
PubChem CID670059
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene
SMILESCc1ccc(CNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H16N2O2S/c1-9-4-6-10(7-5-9)8-11-15(13,14)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyONLOGVYOIGFUPF-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Benzenedimethanamine
CID 68315
4-Methylbenzylamine
CID 66035
N-benzylaminosulfonamide
CID 12354987
Benzyl(Benzylsulfamoyl)Amine
CID 1488548
4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
(Benzylsulfamoyl)((2-fluorophenyl)methyl)amine
CID 1475421
N-benzylmethanesulfonamide
CID 235490
(4-Ethylphenyl)methanamine
CID 3870219
N-Methyl-4-methylbenzylamine
CID 2794640
[(4-Methylphenyl)methyl](propyl)amine
CID 4716566
N,N-dibenzylsulfamide
CID 13801611
1,4-Bis(dimethylaminomethyl)benzene
CID 3599765

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene (CID 670059) is 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene is Cc1ccc(CNS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene?
The InChIKey is ONLOGVYOIGFUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9-4-6-10(7-5-9)8-11-15(13,14)12(2)3/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene?
1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene has a molecular weight of 228.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylsulfamoylamino)methyl]-4-methylbenzene is sourced from PubChem (CID 670059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).